methyl (2R)-2-[2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(6-azanyl-4-oxidanylidene-1-phenethyl-pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(6-amino-4-oxo-1-phenethyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-[(6-amino-4-oxo-1-phenethyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(6-amino-4-oxo-1-phenethylpyrimidin-2-yl)sulfanylacetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-[(6-amino-4-keto-1-phenethyl-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NC(=O)C=C(N1CCC2=CC=CC=C2)N

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NC(=O)C=C(N1CCC2=CC=CC=C2)N

InChI

InChI=1S/C21H28N4O4S/c1-14(2)11-16(20(28)29-3)23-19(27)13-30-21-24-18(26)12-17(22)25(21)10-9-15-7-5-4-6-8-15/h4-8,12,14,16H,9-11,13,22H2,1-3H3,(H,23,27)/t16-/m1/s1